3-iodo-1-pentylpyridin-2-one

C10H14INO — CID 79785003

IUPAC3-iodo-1-pentylpyridin-2-one
SMILESCCCCCn1cccc(I)c1=O
InChIInChI=1S/C10H14INO/c1-2-3-4-7-12-8-5-6-9(11)10(12)13/h5-6,8H,2-4,7H2,1H3
InChIKeyVOOLZQGXCUFXJX-UHFFFAOYSA-N
MW291.13 g/mol
LogP2.64
Rot. Bonds4

About 3-iodo-1-pentylpyridin-2-one

3-iodo-1-pentylpyridin-2-one (PubChem CID 79785003) has the molecular formula C10H14INO and a molecular weight of 291.13 g/mol. Its IUPAC name is 3-iodo-1-pentylpyridin-2-one.

Molecular Properties

Compound Name3-iodo-1-pentylpyridin-2-one
PubChem CID79785003
Molecular FormulaC10H14INO
Molecular Weight291.13 g/mol
Exact Mass291.01
IUPAC Name3-iodo-1-pentylpyridin-2-one
SMILESCCCCCn1cccc(I)c1=O
InChIInChI=1S/C10H14INO/c1-2-3-4-7-12-8-5-6-9(11)10(12)13/h5-6,8H,2-4,7H2,1H3
InChIKeyVOOLZQGXCUFXJX-UHFFFAOYSA-N
XLogP2.64
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-pentylpyridin-2-one?
The IUPAC name of 3-iodo-1-pentylpyridin-2-one (CID 79785003) is 3-iodo-1-pentylpyridin-2-one.
What is the SMILES notation for 3-iodo-1-pentylpyridin-2-one?
The canonical SMILES for 3-iodo-1-pentylpyridin-2-one is CCCCCn1cccc(I)c1=O.
What is the InChIKey of 3-iodo-1-pentylpyridin-2-one?
The InChIKey is VOOLZQGXCUFXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14INO/c1-2-3-4-7-12-8-5-6-9(11)10(12)13/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 3-iodo-1-pentylpyridin-2-one?
3-iodo-1-pentylpyridin-2-one has a molecular weight of 291.13 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-pentylpyridin-2-one is sourced from PubChem (CID 79785003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).